C114H121Cl6F6N17O19 — CID 159624748
3-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-methylimidazo[4,5-c][1,2]oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-oxo-1,2-oxazole-5-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-[[4-(4-chlorophenyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;3-(difluoromethyl)-N-[(2S)-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-5-carboxamide (PubChem CID 159624748) has the molecular formula C114H121Cl6F6N17O19 and a molecular weight of 2360.03 g/mol. Its IUPAC name is 3-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-methylimidazo[4,5-c][1,2]oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-oxo-1,2-oxazole-5-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-[[4-(4-chlorophenyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;3-(difluoromethyl)-N-[(2S)-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-5-carboxamide.
| Compound Name | 3-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-methylimidazo[4,5-c][1,2]oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-oxo-1,2-oxazole-5-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-[[4-(4-chlorophenyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;3-(difluoromethyl)-N-[(2S)-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-5-carboxamide |
|---|---|
| PubChem CID | 159624748 |
| Molecular Formula | C114H121Cl6F6N17O19 |
| Molecular Weight | 2360.03 g/mol |
| Exact Mass | 2355.71 |
| IUPAC Name | 3-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-1,2-oxazole-5-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-4-methylimidazo[4,5-c][1,2]oxazole-3-carboxamide;N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methyl-1-bicyclo[2.2.2]octanyl]-3-oxo-1,2-oxazole-5-carboxamide;1-(4-chloro-3-methylphenoxy)-3-[3-[[4-(4-chlorophenyl)-2-pyridinyl]amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;3-(difluoromethyl)-N-[(2S)-4-[[2-(3-fluoro-4-methylphenoxy)acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-1-methylpyrazole-5-carboxamide |
| SMILES | CC1CC2(NC(=O)c3cc(=O)[nH]o3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3cc(Cl)no3)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.CC1CC2(NC(=O)c3onc4ncn(C)c34)CCC1(NC(=O)COc1ccc(Cl)c(F)c1)CC2.Cc1cc(OCC(=O)CC23CC(Nc4cc(-c5ccc(Cl)cc5)ccn4)(C2)C3)ccc1Cl.Cc1ccc(OCC(=O)NC23CCC(NC(=O)c4cc(C(F)F)nn4C)(CC2)[C@@H](O)C3)cc1F |
| InChI | InChI=1S/C26H24Cl2N2O2.C23H25ClFN5O4.C23H27F3N4O4.C21H22Cl2FN3O4.C21H23ClFN3O5/c1-17-10-22(6-7-23(17)28)32-13-21(31)12-25-14-26(15-25,16-25)30-24-11-19(8-9-29-24)18-2-4-20(27)5-3-18;1-13-10-22(28-21(32)19-18-20(29-34-19)26-12-30(18)2)5-7-23(13,8-6-22)27-17(31)11-33-14-3-4-15(24)16(25)9-14;1-13-3-4-14(9-15(13)24)34-12-19(32)27-22-5-7-23(8-6-22,18(31)11-22)28-21(33)17-10-16(20(25)26)29-30(17)2;1-12-10-20(26-19(29)16-9-17(23)27-31-16)4-6-21(12,7-5-20)25-18(28)11-30-13-2-3-14(22)15(24)8-13;1-12-10-20(25-19(29)16-9-17(27)26-31-16)4-6-21(12,7-5-20)24-18(28)11-30-13-2-3-14(22)15(23)8-13/h2-11H,12-16H2,1H3,(H,29,30);3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,27,31)(H,28,32);3-4,9-10,18,20,31H,5-8,11-12H2,1-2H3,(H,27,32)(H,28,33);2-3,8-9,12H,4-7,10-11H2,1H3,(H,25,28)(H,26,29);2-3,8-9,12H,4-7,10-11H2,1H3,(H,24,28)(H,25,29)(H,26,27)/t;;18-,22?,23?;;/m..0../s1 |
| InChIKey | MOINZTNDAIDQHX-WPNIJQCZSA-N |
| XLogP | 19.57 |
| TPSA | 474.87 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2360.03 |
| LogP ≤ 5 | 19.57 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 27 |